3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(4-bromophenyl)-2-ethoxycarbonyl-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 3-(4-bromophenyl)-2-carbethoxy-4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C25H26BrNO5 MolecularWeight: 500.38164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC(C3)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC(C3)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrNO5/c1-3-31-25(30)24-21(16-6-8-17(26)9-7-16)22(29)18-10-11-20(28)19(23(18)32-24)14-27-12-4-5-15(2)13-27/h6-11,15,28H,3-5,12-14H2,1-2H3